Электронная библиотека (репозиторий) Томского государственного университета
Agren, Hans

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Add   Optimization of core-valence states of molecules
Authors: Valiev, Rashid R. | Feifel, Raimund | Agren, Hans | Eland, John H. D.
Source: Molecular physics. 2017. Vol. 115, № 1/2. P. 252-259
Type: статьи в журналах
Date: 2017
Description: Core–valence double-electron ionisation spectra of a few small molecules – carbon monoxide, ammonia, methyl fluoride and thiophene – are presented and analysed using the self-consistent field algorith ... More
Add   Anion-induced exchange interactions in binuclear complexes of Cu(II) with flexible hexadentate bispicolylamidrazone ligands
Authors: Baryshnikov, Gleb V. | Baryshnikova, Alina A. | Agren, Hans | Minaev, Boris F.
Source: Chemical physics letters. 2016. Vol. 661. P. 48-52
Type: статьи в журналах
Date: 2016
Description: Two recently synthesized copper(II) complexes with spacer-armed bispicolylamidrazone ligands have been theoretically studied at the density functional theory (DFT) level accounting for empirical dispe ... More
Add   Benzoannelated aza-, oxa- and azaoxa[8]circulenes as promising blue organic emitters
Authors: Baryshnikov, Gleb V. | Karaush, Nataliya N. | Minaeva, Valentina A. | Sinelnikov, Alexandr N. | Pedersen, Stephan K. | Pittelkow, Michael | Minaev, Boris F. | Agren, Hans | Valiev, Rashid R.
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 40. P. 28040-28051
Type: статьи в журналах
Date: 2016
Description: In the present work, we studied the synergetic effect of benzoannelation and NH/O-substitution for enhancing the absorption intensity in a series of novel designed benzoannelated aza- and oxa[8]circul ... More
Add   Design, synthesis and evaluation of a new Mn - contrast agent for MR imaging of myocardium based on the DTPA-phenylpentadecanoic acid complex
Authors: Belyanin, Maxim L. | Valiev, Rashid R. | Filimonov, Victor D. | Usov, Vladimir Yu. | Borodin, Oleg | Agren, Hans | Stepanova, Elena V.
Source: Chemical physics letters. 2016. Vol. 665. P. 111-116
Type: статьи в журналах
Date: 2016
Description: In the present paper we describe the first synthesis and evaluation of a novel Mn (II) complex (DTPA-PPDA Mn (II)) which contains a C-15 fatty acid moiety that has high affinity to the heart muscle. T ... More
Add   DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck-Condon and Herzberg-Teller approaches including Duschinsky effect
Authors: Karaush, Nataliya N. | Baryshnikov, Gleb V. | Minaev, Boris F. | Agren, Hans | Valiev, Rashid R.
Source: Chemical physics. 2015. Vol. 459. P. 65-71
Type: статьи в журналах
Date: 2015
Description: Calculations of vibronic structure in the electronic absorption spectra are carried out for the series of heteroannelated octatetraenes on the basis of density functional theory method. Both Franck–Co ... More
Add   Energy-cascaded upconversion in an organic dye-sensitized core/shell fluoride nanocrystal
Authors: Chen, Guanying | Qiu, Hailong | Shao, Wei | Ohulchanskyy, Tymish Y. | Valiev, Rashid R. | Wu, Xiang | Han, Gang | Wang, Yan | Yang, Chunhui | Damasco, Jossana | Agren, Hans | Prasad, Paras N.
Source: Nano letters. 2015. Vol. 15, № 11. P. 7400-7407
Type: статьи в журналах
Date: 2015
Description: Lanthanide-doped upconversion nanoparticles hold promises for bioimaging, solar cells, and volumetric displays. However, their emission brightness and excitation wavelength range are limited by the we ... More
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